[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H21NO5 MolecularWeight: 343.37374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO5/c21-17(19-8-12-5-13(9-19)7-14(6-12)10-19)11-25-18(22)15-1-3-16(4-2-15)20(23)24/h1-4,12-14H,5-11H2